1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide

C14H24N4O3S — CID 72913069

IUPAC1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(C)C)cnn1C
InChIInChI=1S/C14H24N4O3S/c1-9(2)12-7-18(22(5,20)21)8-13(12)16-14(19)11-6-15-17(4)10(11)3/h6,9,12-13H,7-8H2,1-5H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyXHYLWSOWXQMSKW-OLZOCXBDSA-N
MW328.44 g/mol
LogP0.37
Rot. Bonds4

About 1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide

1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 72913069) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID72913069
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(C)C)cnn1C
InChIInChI=1S/C14H24N4O3S/c1-9(2)12-7-18(22(5,20)21)8-13(12)16-14(19)11-6-15-17(4)10(11)3/h6,9,12-13H,7-8H2,1-5H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyXHYLWSOWXQMSKW-OLZOCXBDSA-N
XLogP0.37
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide (CID 72913069) is 1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide is Cc1c(C(=O)N[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(C)C)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is XHYLWSOWXQMSKW-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-9(2)12-7-18(22(5,20)21)8-13(12)16-14(19)11-6-15-17(4)10(11)3/h6,9,12-13H,7-8H2,1-5H3,(H,16,19)/t12-,13+/m1/s1.
What are the key properties of 1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 72913069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).